S-(6-pyridin-4-ylhexyl) ethanethioate

Systemtic Name: S-(6-pyridin-4-ylhexyl) ethanethioate Openeye Name: S-[6-(4-pyridyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-(6-pyridin-4-ylhexyl) ester IUPAC Name: S-(6-pyridin-4-ylhexyl) ethanethioate Traditional Name: ethanethioic acid S-[6-(4-pyridyl)hexyl] ester Formula: C13H19NOS MolecularWeight: 237.36106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=CC=NC=C1

Isomeric SMILES

CC(=O)SCCCCCCC1=CC=NC=C1

InChI

InChI=1S/C13H19NOS/c1-12(15)16-11-5-3-2-4-6-13-7-9-14-10-8-13/h7-10H,2-6,11H2,1H3